{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.506329 0.750298 ] [ 0.25 0.493671 0.249702 ] [ 0.75 0.006329 0.749702 ] [ 0.25 0.993671 0.250298 ] [ 0.75 0.243673 0.217294 ] [ 0.25 0.756327 0.782706 ] [ 0.75 0.743673 0.282706 ] [ 0.25 0.256327 0.717294 ] [ 0.75 0.255219 0.50209 ] [ 0.25 0.744781 0.49791 ] [ 0.75 0.755219 0.99791 ] [ 0.25 0.244781 0.00209 ] [ 0.75 0.756168 0.675327 ] [ 0.25 0.243832 0.324673 ] [ 0.75 0.256168 0.824673 ] [ 0.25 0.743832 0.175327 ] [ 0.75 0.56129 0.388119 ] [ 0.25 0.43871 0.611881 ] [ 0.75 0.06129 0.111881 ] [ 0.25 0.93871 0.888119 ] [ 0.75 0.925495 0.388207 ] [ 0.25 0.074505 0.611793 ] [ 0.75 0.425495 0.111793 ] [ 0.25 0.574505 0.888207 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Cu" "Cu" "Cu" "Cu" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.92604989 "source-unit" "angstrom" } "b" { "source-value" 10.28004472 "source-unit" "angstrom" } "c" { "source-value" 13.03333008 "source-unit" "angstrom" } }